AC1O3UA6
ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: beta-Alanine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester|ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium|Ethyl N-(8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene)-beta-alaninate|Ethyl N-[(10S)-8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene]-beta-alaninate
| Molecular Formula | C13H24N2O5PS2+ |
|---|---|
| Molecular Weight | 383.08643 g/mol |
| LogP | 1.1465 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 383.08643 |
| Monoisotopic Mass | 383.08643 |
| Heavy Atoms | 23 |
| Complexity | 423.16907 |
Chemical Identifiers
| CAS Number | 68030-50-2 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)N[C@@H](C)C(=O)NCCC(=O)OCC |
Product Overview
AC1O3UA6 (CAS 68030-50-2), with molecular formula C13H24N2O5PS2+ and molecular weight 383.08643 g/mol. IUPAC: ethoxymethyl-[2-[[(2S)-1-[(3-ethoxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.